SCHEMBL9707043

SCHEMBL9707043

COC(=O)CCCNC(=O)C(C)(C)Oc1ccc(C[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
PPARA Q07869 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
ITGB3 P05106 2/20 0.41
ITGAV P06756 2/20 0.41
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
USP2 O75604 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9707075 0.92 PPARA (0.45) ALDH1A1KDM4EHPGDPPARAHSD17B10
SCHEMBL9707071 0.91 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDPPARAHSD17B10
SCHEMBL9707100 0.86 POLB (0.53) PPARAPOLBTDP1
SCHEMBL9707106 0.83 ALDH1A1 (0.48) ALDH1A1PPARAHSD17B10POLBTDP1
SCHEMBL9707109 0.82 TDP1 (0.49) ALDH1A1PPARAPOLBTDP1TSHR
SCHEMBL9707053 0.81 ALDH1A1 (0.48) ALDH1A1PPARAPOLBTDP1TSHR
SCHEMBL9707039 0.80 PPARA (0.42) ALDH1A1PPARATDP1TSHRGAA
SCHEMBL9707025 0.79 POLB (0.54) PPARAPOLBTDP1
SCHEMBL9707046 0.79 POLB (0.54) PPARAPOLBTDP1
SCHEMBL9707024 0.79 POLB (0.53) PPARAPOLBTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502498-A1 Phenoxyalkanoic acid derivatives and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1992-09-09 EP disclosed